ChemSpider 2D Image | Methyl (12R,13E,17S,19R)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.0~1,9~.0~2,7~.0~10,15~.0~14,18~]nonadeca-2,4,6,8-tetraene-19-carboxylate | C20H20N2O4

Methyl (12R,13E,17S,19R)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraene-19-carboxylate

  • Molecular FormulaC20H20N2O4
  • Average mass352.384 Da
  • Monoisotopic mass352.142303 Da
  • ChemSpider ID74181373

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(12R,13E,17S,19R)-13-Éthylidène-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadéca-2,4,6,8-tétraène-19-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (12R,13E,17S,19R)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraene-19-carboxylate [ACD/IUPAC Name]
Methyl-(12R,13E,17S,19R)-13-ethyliden-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraen-19-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 513.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 264.3±32.9 °C
Index of Refraction: 1.816
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.15
ACD/KOC (pH 5.5): 125.72
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 132.95
Polar Surface Area: 71 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 210.0±7.0 cm3

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